Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1783030 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL28194971 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL12603960 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL9186483 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL1551574 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL11028869 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL12603937 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL1551300 | 0.91 | CYSLTR1 (0.45) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| SCHEMBL9598037 | 0.89 | CYSLTR1 (0.46) | PDE10ACYSLTR1CYSLTR2GPBAR1HDAC1 | |
| Quinoline SCHEMBL28287745 | 0.85 | KCNH2 (0.51) | ALDH1A1PDE10ACYSLTR1CYSLTR2GPBAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107667288-A | Spectral analysis of microorganisms | 英国质谱公司 | 2018-02-06 | — | — | CN | disclosed |